2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine

C7H3ClF3IN2O3 — CID 118809105

IUPAC2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1cc(I)c(OC(F)(F)F)c(CCl)n1
InChIInChI=1S/C7H3ClF3IN2O3/c8-2-4-6(17-7(9,10)11)3(12)1-5(13-4)14(15)16/h1H,2H2
InChIKeyGQWMOTHGLUOKGO-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.23
Rot. Bonds3

About 2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine

2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine (PubChem CID 118809105) has the molecular formula C7H3ClF3IN2O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine
PubChem CID118809105
Molecular FormulaC7H3ClF3IN2O3
Molecular Weight382.46 g/mol
Exact Mass381.88
IUPAC Name2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1cc(I)c(OC(F)(F)F)c(CCl)n1
InChIInChI=1S/C7H3ClF3IN2O3/c8-2-4-6(17-7(9,10)11)3(12)1-5(13-4)14(15)16/h1H,2H2
InChIKeyGQWMOTHGLUOKGO-UHFFFAOYSA-N
XLogP3.23
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 118832466
[4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814494
2-[2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118826870
4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine
CID 119009076
2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine
CID 118804281
2-[3-hydroxy-6-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134681205
4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134680057
2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine
CID 131500569
6-(chloromethyl)-2-iodo-3-nitro-4-(trifluoromethoxy)pyridine
CID 134681052
2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 134680139
6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 118838420
2-(chloromethyl)-3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine
CID 118826839

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine (CID 118809105) is 2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine is O=[N+]([O-])c1cc(I)c(OC(F)(F)F)c(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine?
The InChIKey is GQWMOTHGLUOKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3IN2O3/c8-2-4-6(17-7(9,10)11)3(12)1-5(13-4)14(15)16/h1H,2H2.
What are the key properties of 2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine?
2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine has a molecular weight of 382.46 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118809105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).